CID 90437844

Phenylglycol-3-o-sulfate

Structural Information

Molecular Formula
C8H10O6S
SMILES
C1=CC(=CC(=C1)OS(=O)(=O)O)[C@H](CO)O
InChI
InChI=1S/C8H10O6S/c9-5-8(10)6-2-1-3-7(4-6)14-15(11,12)13/h1-4,8-10H,5H2,(H,11,12,13)/t8-/m0/s1
InChIKey
YKWHNNQDBSJJKG-QMMMGPOBSA-N
Compound name
[3-[(1R)-1,2-dihydroxyethyl]phenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.0198 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02708 146.8
[M+Na]+ 257.00902 155.4
[M+NH4]+ 252.05362 151.9
[M+K]+ 272.98296 151.7
[M-H]- 233.01252 144.3
[M+Na-2H]- 254.99447 149.5
[M]+ 234.01925 147.4
[M]- 234.02035 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.